aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24521 | -0.44 | 173.17 | C7H11O4N | CC(=O)NCCCC(=O)C(=O)O |
|
AD24522 | -1.5 | 242.12 | C5H11O7N2P | COP(=O)(O)OC(=O)C(N)CC(=O)NO |
|
AD24523 | 0.19 | 567.45 | C16H31O13N3P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-] |
|
AD24524 | 1.54 | 809.8 | C38H39O15N3S | COc1cc(C)c2ccc(O)c(C(=O)OC3C(O)c4cc5c(cc4C3SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)(C3COC(=O)O3)C=C5)c2c1 |
|
AD24525 | -0.04 | 109.15 | C6H9N2 | NCc1ccc[nH+]c1 |
|
AD24526 | 0.83 | 219.26 | C12H15O2N2 | NC(=O)c1c[nH+]ccc1C1CCCCC1=O |
|
AD24527 | -1.69 | 291.18 | C9H12O7N2P | NC(=O)c1c[nH+]ccc1C(O)C(=O)COP(=O)(O)O |
|
AD24528 | 3.37 | 496.7 | C29H44O3N4 | CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C(C5C=CNC=C5C(N)=O)CC4(C)C3CCC12C |
|
AD24529 | -2.5 | 205.17 | C7H11O6N | O=C(CO)NCC(O)CC(=O)C(=O)O |
|
AD24530 | -1.74 | 588.59 | C29H34O12N | COC(=O)C1C2=CC3C(=O)c4c5c(cc(O)c4C(=O)C3=C(O)C2C(O)CC1(C)O)C1(C)OC(O5)C(O)C([NH+](C)C)C1O |